Information card for entry 7125720

Structure parameters

• Formula: C18 H38 Ag4 I6 N4
• Calculated formula: C18 H38 Ag4 I6 N4
• Title of publication: Multi-step structural phase transitions with novel symmetry breaking and inverse symmetry breaking characteristics in a [Ag₄I₆]^2- cluster hybrid crystal.
• Authors of publication: Zhang, Jin; Yao, Wan-Wan; Sang, Lei; Pan, Xue-Wei; Wang, Xiao-Zu; Liu, Wen-Long; Wang, Lifeng; Ren, Xiao-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 462 - 465
• a: 15.0205 ± 0.0008 Å
• b: 15.0458 ± 0.001 Å
• c: 15.0407 ± 0.001 Å
• α: 90°
• β: 90.269 ± 0.002°
• γ: 90°
• Cell volume: 3399.1 ± 0.4 ų
• Cell temperature: 323 ± 2 K
• Ambient diffraction temperature: 323.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1774
• Residual factor for significantly intense reflections: 0.1746
• Weighted residual factors for significantly intense reflections: 0.2956
• Weighted residual factors for all reflections included in the refinement: 0.2958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No